[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate

C20H28N2O4 — CID 7772669

IUPAC[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
SMILESCC[C@@H](C)[C@@H](C(=O)OCC(=O)NC(=O)NC1CCCC1)c1ccccc1
InChIInChI=1S/C20H28N2O4/c1-3-14(2)18(15-9-5-4-6-10-15)19(24)26-13-17(23)22-20(25)21-16-11-7-8-12-16/h4-6,9-10,14,16,18H,3,7-8,11-13H2,1-2H3,(H2,21,22,23,25)/t14-,18-/m1/s1
InChIKeyKPQWTGZHEULISM-RDTXWAMCSA-N
MW360.45 g/mol
LogP3.13
Rot. Bonds7

About [2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate (PubChem CID 7772669) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate.

Molecular Properties

Compound Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
PubChem CID7772669
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
SMILESCC[C@@H](C)[C@@H](C(=O)OCC(=O)NC(=O)NC1CCCC1)c1ccccc1
InChIInChI=1S/C20H28N2O4/c1-3-14(2)18(15-9-5-4-6-10-15)19(24)26-13-17(23)22-20(25)21-16-11-7-8-12-16/h4-6,9-10,14,16,18H,3,7-8,11-13H2,1-2H3,(H2,21,22,23,25)/t14-,18-/m1/s1
InChIKeyKPQWTGZHEULISM-RDTXWAMCSA-N
XLogP3.13
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate with MolForge

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Related Compounds

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2S,3R)-3-methyl-2-phenylpentanoate
CID 7772661
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2,2-diphenylacetate
CID 7749935
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2S,3S)-3-methyl-2-phenylpentanoate
CID 7772303
[2-oxo-2-(phenylcarbamoylamino)ethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 8970656
[2-(carbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7772578
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 7795325
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 7842805
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132649
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-benzamido-2-phenylacetate
CID 46661496
[2-(ethoxycarbonylamino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate
CID 7772689
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 55324727
[2-(2-benzoylhydrazinyl)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7772337

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate?
The IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate (CID 7772669) is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate.
What is the SMILES notation for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate?
The canonical SMILES for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate is CC[C@@H](C)[C@@H](C(=O)OCC(=O)NC(=O)NC1CCCC1)c1ccccc1.
What is the InChIKey of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate?
The InChIKey is KPQWTGZHEULISM-RDTXWAMCSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-3-14(2)18(15-9-5-4-6-10-15)19(24)26-13-17(23)22-20(25)21-16-11-7-8-12-16/h4-6,9-10,14,16,18H,3,7-8,11-13H2,1-2H3,(H2,21,22,23,25)/t14-,18-/m1/s1.
What are the key properties of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate?
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate has a molecular weight of 360.45 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate is sourced from PubChem (CID 7772669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).